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Name	Phosphorous acid,trioctadecyl ester	EINECS	218-217-6
CAS No.	2082-80-6	Density	N/A
PSA	41.28000	LogP	21.04760
Solubility	N/A	Melting Point	45.0 to 52.0 °C
Formula	C₅₄H₁₁₁O₃P	Boiling Point	650.4 °C at 760 mmHg
Molecular Weight	839.447	Flash Point	437.9 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	trioctadecyl phosphite;TRI-N-OCTADECYL PHOSPHITE;PHOSPHOROUS ACID TRI-N-OCTADECYL ESTER;Chelex S;JP 318;NSC 65487;Weston TSP;

Phosphorous acid,trioctadecyl ester Specification

The Phosphorous acid,trioctadecyl ester, its CAS registry number is 2082-80-6. The IUPAC name of it is trioctadecyl phosphite, and molecular formula is C₅₄H₁₁₁O₃P. In addition, its molecular weight is 839.431101.

Physical properties about this chemical are: (1) ACD/LogP: 26.17; (2) # of Rule of 5 Violations: 2; (3) # H bond acceptors: 3; (4) #H bond donors: 0; (5) # Freely Rotating Bonds: 54; (6) Polar Surface Area: 41.28 Å²; (7) Flash Point: 437.9 °C; (8) Enthalpy of Vaporization: 92.38 kJ/mol; (9) Boiling Point: 650.4 °C at 760 mmHg; (10) Vapour Pressure: 4.42E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:O(P(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
(2) InChI:InChI=1/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
(3) InChIKey:CNUJLMSKURPSHE-UHFFFAOYAX

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